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	hartrees
Energy at 0K	-1194.434927
Energy at 298.15K	-1194.435703
HF Energy	-1193.627246
Nuclear repulsion energy	353.016437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1907	1765	0.00
2	A_g	1301	1204	0.00
3	A_g	682	631	0.00
4	A_g	455	421	0.00
5	A_g	309	286	0.00
6	A_u	403	373	2.03
7	A_u	146	135	0.30
8	B_g	624	578	0.00
9	B_u	1322	1223	349.11
10	B_u	947	876	194.28
11	B_u	453	419	4.00
12	B_u	190	175	2.88

Atom	x (Å)	y (Å)
C1	-0.065	0.656
C2	0.065	-0.656
F3	-1.247	1.228
F4	1.247	-1.228
Cl5	1.247	1.737
Cl6	-1.247	-1.737

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3178	1.3135	2.2957	1.7005	2.6686
C2	1.3178		2.2957	1.3135	2.6686	1.7005
F3	1.3135	2.2957		3.5007	2.5462	2.9647
F4	2.2957	1.3135	3.5007		2.9647	2.5462
Cl5	1.7005	2.6686	2.5462	2.9647		4.2767
Cl6	2.6686	1.7005	2.9647	2.5462	4.2767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.499	C1	C2	Cl6	123.806
C2	C1	F3	121.499	C2	C1	Cl5	123.806
F3	C1	Cl5	114.695	F4	C2	Cl6	114.695

All results from a given calculation for CFClCClF (trans-1,2-dichloro-1,2-difluoroethylene)

using model chemistry: CISD/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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